3-(4-ethoxyphenyl)-7-methoxy-2H-chromene

C18H18O3 — CID 54751719

IUPAC3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
SMILESCCOc1ccc(C2=Cc3ccc(OC)cc3OC2)cc1
InChIInChI=1S/C18H18O3/c1-3-20-16-7-4-13(5-8-16)15-10-14-6-9-17(19-2)11-18(14)21-12-15/h4-11H,3,12H2,1-2H3
InChIKeyGBTNJHFTLZJKRG-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.03
Rot. Bonds4

About 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene

3-(4-ethoxyphenyl)-7-methoxy-2H-chromene (PubChem CID 54751719) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
PubChem CID54751719
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
SMILESCCOc1ccc(C2=Cc3ccc(OC)cc3OC2)cc1
InChIInChI=1S/C18H18O3/c1-3-20-16-7-4-13(5-8-16)15-10-14-6-9-17(19-2)11-18(14)21-12-15/h4-11H,3,12H2,1-2H3
InChIKeyGBTNJHFTLZJKRG-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)-2H-chromene
CID 58678829
[4-[7-(2-propylpentanoyloxy)-2H-chromen-3-yl]phenyl] 2-propylpentanoate
CID 166992969
(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
CID 70423170
3-(4-ethoxyphenyl)cyclopent-2-en-1-one
CID 39240486
3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 25178059
6-methoxy-1,2-dihydrocyclopenta[b]chromene
CID 86188658
(3E)-3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 31762948
3-[(4-ethoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 74618182
1-(6-ethoxy-2H-chromen-3-yl)ethanone
CID 165453464
8-methoxy-2,3-dihydro-1-benzoxepine-4-carbonyl chloride
CID 23045009
3-(4-butoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene
CID 163486795
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene?
The IUPAC name of 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene (CID 54751719) is 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene.
What is the SMILES notation for 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene?
The canonical SMILES for 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene is CCOc1ccc(C2=Cc3ccc(OC)cc3OC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene?
The InChIKey is GBTNJHFTLZJKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-20-16-7-4-13(5-8-16)15-10-14-6-9-17(19-2)11-18(14)21-12-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene?
3-(4-ethoxyphenyl)-7-methoxy-2H-chromene has a molecular weight of 282.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-7-methoxy-2H-chromene is sourced from PubChem (CID 54751719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).